SCHEMBL24680698

SCHEMBL24680698

COC(=O)c1cccc2c1nnn2[C@@H]1O[C@H](CO)[C@@H](OP(=S)(OCC#N)OC[C@H]2C[C@@H](n3cnc4c(Cl)ncnc43)[C@@H]2CO)[C@H]1F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DNPH1 O43598 2/20 0.33
▸ SLC29A1 Q99808 2/20 0.32
▸ TYMP P19971 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20691457 0.95 DNPH1 (0.32) DNPH1SLC29A1
SCHEMBL20691327 0.91 SLC29A1 (0.31) DNPH1SLC29A1
SCHEMBL20691314 0.82 P2RY12 (0.36) DNPH1
SCHEMBL20692012 0.80 DNPH1 (0.32) DNPH1
SCHEMBL22349173 0.76 TYMP (0.33) DNPH1SLC29A1TYMP
SCHEMBL20692127 0.76 TYMP (0.33) DNPH1SLC29A1TYMP
SCHEMBL25688857 0.75 P2RY12 (0.38) DNPH1
SCHEMBL25688845 0.73 P2RY12 (0.36) DNPH1
SCHEMBL20691946 0.73 P2RY12 (0.34) DNPH1
SCHEMBL25693011 0.72 P2RY12 (0.34) DNPH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658565-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-11-09 — — EP disclosed
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